CID 3068369

83395-27-1

Structural Information

Molecular Formula
C14H17N5O5
SMILES
COCCOC(=O)NC1=NC(=CC2=NC(=O)ON21)N3CCC=CC3
InChI
InChI=1S/C14H17N5O5/c1-22-7-8-23-13(20)17-12-15-10(18-5-3-2-4-6-18)9-11-16-14(21)24-19(11)12/h2-3,9H,4-8H2,1H3,(H,15,17,20)
InChIKey
RTGKZMMZQKPDHB-UHFFFAOYSA-N
Compound name
2-methoxyethyl N-[7-(3,6-dihydro-2H-pyridin-1-yl)-2-oxo-[1,2,4]oxadiazolo[2,3-c]pyrimidin-5-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

335.12296 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.13024 173.3
[M+Na]+ 358.11218 181.6
[M-H]- 334.11568 176.8
[M+NH4]+ 353.15678 182.3
[M+K]+ 374.08612 179.8
[M+H-H2O]+ 318.12022 162.7
[M+HCOO]- 380.12116 191.7
[M+CH3COO]- 394.13681 208.5
[M+Na-2H]- 356.09763 178.5
[M]+ 335.12241 178.3
[M]- 335.12351 178.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe